0 mol 12 unq 0 iso 0 dist 7.4036 11.6972 6.96422 7.00079 5.76024 5.4274 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.4036 11.6972 6.96422 6.50215 7.92714 8.06296 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 7.4036 11.6972 6.96422 12.5814 8.47217 6.65972 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 8.84341 14.8804 9.877 12.3102 7.92012 6.31299 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 7.02884 12.5119 9.877 12.9838 7.92012 6.31299 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.89222 14.0527 7.3022 10.7484 6.93197 6.78223 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 9.53735 5.19563 7.22361 12.3478 7.35861 7.52321 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 9.53735 14.2716 6.15893 12.3478 7.35861 7.26595 numMergedOcc 0
8 mol 26 unq 3 iso 0 dist 9.34599 14.7857 7.22361 13.7277 7.35861 7.52321 numMergedOcc 0
9 mol 26 unq 4 iso 0 dist 9.34599 7.23962 6.15893 13.7277 7.35861 7.26595 numMergedOcc 0
10 mol 26 unq 5 iso 0 dist 6.32127 7.23962 5.497 8.08257 6.56527 11.553 numMergedOcc 0
11 mol 46 unq 0 iso 0 dist 8.5377 6.20913 6.61977 4.03395 8.0543 5.99025 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 5.0478 5.59128 6.30987 6.85941 9.17082 6.85072 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 8.7389 11.0222 7.03226 5.29835 8.95905 9.24521 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 7.43804 11.1769 6.0129 13.8217 7.36769 10.2677 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 7.43804 11.1769 6.0129 12.9299 6.88901 5.71029 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 7.85045 4.98814 7.35992 7.3393 8.38606 6.10081 numMergedOcc 0
17 mol 116 unq 1 iso 0 dist 7.85045 9.53721 6.49383 7.3393 8.38606 4.94926 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.32254 6.41401 6.87262 10.4629 6.84835 10.6436 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 9.32254 6.41401 6.87262 13.7961 8.42748 9.01682 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 5.80081 9.31967 4.25566 11.3904 9.83945 7.64948 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 5.80081 10.5556 6.63171 11.3904 9.83945 14.2837 numMergedOcc 0
22 mol 141 unq 2 iso 0 dist 5.80081 10.0306 7.67273 11.3904 9.83945 10.6379 numMergedOcc 0
23 mol 141 unq 3 iso 0 dist 9.45931 14.0561 7.31037 7.98447 6.75376 7.64948 numMergedOcc 0
24 mol 141 unq 4 iso 0 dist 6.49728 9.31967 7.31037 11.3904 6.75376 7.64948 numMergedOcc 0
25 mol 156 unq 0 iso 0 dist 6.97467 9.32932 6.05323 14.0762 8.21184 11.9671 numMergedOcc 0
26 mol 156 unq 1 iso 0 dist 6.97467 9.32932 6.05323 12.9439 5.9976 8.69711 numMergedOcc 0
27 mol 250 unq 0 iso 0 dist 9.5174 6.92778 6.28538 12.9088 9.70149 6.40578 numMergedOcc 0
